SMALL PERIODIC CLUSTER CALCULATION ON POINT-DEFECT PROBLEMS IN HEXAGONAL LAYERED SOLIDS

被引：42

作者：

ZUNGER, A

机构：

[1] TEL AVIV UNIV, DEPT CHEM, TEL AVIV, ISRAEL

[2] SOREQ NUCL RES CTR, DEPT THEORET PHYS, YAVNE, ISRAEL

来源：

JOURNAL OF CHEMICAL PHYSICS | 1975年 / 62卷 / 05期

关键词：

D O I：

10.1063/1.430670

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：1861 / 1868

页数：8

共 65 条

[1] EXTENDED HUCKEL THEORY AND SHAPE OF MOLECULES [J].

ALLEN, LC ;

RUSSELL, JD .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (03) :1029-&

[2] SELF-CONSISTENT FIELD THEORY FOR ELECTRONIC STRUCTURE OF POLYMERS [J].

ANDRE, JM .

JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (04) :1536-&

[3] ENERGY TO FORM AND TO MOVE VACANT LATTICE SITES IN GRAPHITE [J].

BAKER, C ;

KELLY, A .

NATURE, 1962, 193 (4812) :235-&

[4] OPTICAL PROPERTIES OF THIN BORON NITRIDE FILMS [J].

BARONIAN, W .

MATERIALS RESEARCH BULLETIN, 1972, 7 (02) :119-&

[5] BAND STRUCTURE AND IMPURITY STATES [J].

BASSANI, F ;

IADONISI, G ;

PREZIOSI, B .

PHYSICAL REVIEW, 1969, 186 (03) :735-&

[6]

Bassani F., 1967, NUOVO CIMENTO B, V10, P95, DOI DOI 10.1007/BF02710685

[7] NEW METHOD FOR TREATING LATTICE POINT DEFECTS IN COVALENT CRYSTALS [J].

BENNEMAN, KH .

PHYSICAL REVIEW, 1965, 137 (5A) :1497-+

[8] INDO AND MINDO/2 CRYSTAL ORBITAL STUDY OF POLYACETYLENE, POLYETHYLENE, AND POLYGLYCINE [J].

BEVERIDGE, DL ;

LADIK, J .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (10) :4744-+

[9] BASIS OF EXTENDED HUCKEL FORMALISM [J].

BLYHOLDER, G ;

COULSON, CA .

THEORETICA CHIMICA ACTA, 1968, 10 (04) :316-+

[10] BAND STRUCTURE OF SEVERAL ZINC-BLENDE SEMICONDUCTORS FROM A SELF-CONSISTENT PSEUDOPOTENTIAL APPROACH [J].

BRUST, D .

SOLID STATE COMMUNICATIONS, 1971, 9 (08) :481-&

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